Office of the Provost O’Donnell Data Science and Research Computing Institute

Elfi Kraka

Affiliate Faculty

Elfi Kraka
Professor and Chair, Chemistry Department

Computational and Theoretical Chemistry Group (CATCO)

ekraka@smu.edu
214-768-1609

About

CATCO’s mission is developing and applying modern quantum chemical computer codes to shorten and facilitate scientific discovery processes and to obtain information not amendable to experiment (e.g. extraterrestrial chemistry) via HPC simulations. In addition, CATCO started to build a novel AI supported computer assisted drug design platform – from macro to micro-scale. CATCO is one of the largest ManeFrame2 users.

http://smu.edu/catco/